3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

C21H24FNO3 — CID 113090680

IUPAC3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2(c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C21H24FNO3/c1-25-18-9-3-15(13-19(18)26-2)4-10-20(24)23-14-21(11-12-21)16-5-7-17(22)8-6-16/h3,5-9,13H,4,10-12,14H2,1-2H3,(H,23,24)
InChIKeyDRHMJQBNTPXVKI-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.62
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (PubChem CID 113090680) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
PubChem CID113090680
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCC2(c3ccc(F)cc3)CC2)cc1OC
InChIInChI=1S/C21H24FNO3/c1-25-18-9-3-15(13-19(18)26-2)4-10-20(24)23-14-21(11-12-21)16-5-7-17(22)8-6-16/h3,5-9,13H,4,10-12,14H2,1-2H3,(H,23,24)
InChIKeyDRHMJQBNTPXVKI-UHFFFAOYSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 122194375
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111200555
2-[(3,4-dimethoxyphenyl)methyl]-1-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine
CID 111091586
2-[(3,4-dimethoxyphenyl)methyl]-1-[[1-(4-fluorophenyl)cyclobutyl]methyl]guanidine;hydroiodide
CID 111091585
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110480778
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
1-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylguanidine
CID 111200288
1-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438018
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide (CID 113090680) is 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is COc1ccc(CCC(=O)NCC2(c3ccc(F)cc3)CC2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
The InChIKey is DRHMJQBNTPXVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-25-18-9-3-15(13-19(18)26-2)4-10-20(24)23-14-21(11-12-21)16-5-7-17(22)8-6-16/h3,5-9,13H,4,10-12,14H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide has a molecular weight of 357.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 113090680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).